SCHEMBL603166

SCHEMBL603166

Cc1nc(C(N)=NO)cc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CDK8 P49336 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDPK1 O15530 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
PHGDH O43175 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10223614 1.00 HSP90AA1 (0.40) HSP90AA1HSP90AB1CDK8CDK19NPSR1
SCHEMBL10272153 0.81 HSP90AA1 (0.33) HSP90AA1HSP90AB1CDK8CDK19NPSR1
SCHEMBL604106 0.81 HSP90AA1 (0.33) HSP90AA1HSP90AB1CDK8CDK19NPSR1
SCHEMBL10223600 0.81 HSP90AA1 (0.34) HSP90AA1HSP90AB1CDK8CDK19NPSR1
SCHEMBL602233 0.81 HSP90AA1 (0.34) HSP90AA1HSP90AB1CDK8CDK19NPSR1
SCHEMBL604337 0.80 CYP3A4 (0.36) HSP90AA1HSP90AB1CDK8CDK19NPSR1
SCHEMBL604379 0.80 HSD17B10 (0.46) HSP90AA1HSP90AB1CDK8CDK19NPSR1
SCHEMBL10223595 0.80 CYP3A4 (0.36) HSP90AA1HSP90AB1CDK8CDK19NPSR1
SCHEMBL10223652 0.80 SMN1; SMN2 (0.36) HSP90AA1HSP90AB1CDK8CDK19NPSR1
SCHEMBL601204 0.80 SMN1; SMN2 (0.36) HSP90AA1HSP90AB1CDK8CDK19NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102428082-A Pyrimidine compounds and their use in pest control SUMITOMO CHEMICAL CO 2012-04-25 CN disclosed
EP-2432780-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
WO-2010134478-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL TYMP, DPYD, TYMS HSP90AA1 3094/4885HSP90AB1 3128/4885CDK8 1144/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.